5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol

C16H18N6O — CID 135429631

IUPAC5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESCCN(CC)c1ccc(-c2n[nH]c(-c3cnccn3)n2)c(O)c1
InChIInChI=1S/C16H18N6O/c1-3-22(4-2)11-5-6-12(14(23)9-11)15-19-16(21-20-15)13-10-17-7-8-18-13/h5-10,23H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyFCOCRRQBTUTCAP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.48
Rot. Bonds5

About 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol

5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 135429631) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID135429631
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESCCN(CC)c1ccc(-c2n[nH]c(-c3cnccn3)n2)c(O)c1
InChIInChI=1S/C16H18N6O/c1-3-22(4-2)11-5-6-12(14(23)9-11)15-19-16(21-20-15)13-10-17-7-8-18-13/h5-10,23H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyFCOCRRQBTUTCAP-UHFFFAOYSA-N
XLogP2.48
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylamino)-2-(6-phenoxy-1H-benzimidazol-2-yl)phenol
CID 169273680
4-[3-[3-[5-[4-(diethylamino)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]-N,N-diethylaniline
CID 118529717
4-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 135495585
N,N-diethyl-5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 154759721
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium
CID 11061769
2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429519
(1S)-2-methyl-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 97288488
4-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
CID 135495535
N,N-diethyl-4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)diazenyl]aniline
CID 136678230
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol (CID 135429631) is 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol is CCN(CC)c1ccc(-c2n[nH]c(-c3cnccn3)n2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is FCOCRRQBTUTCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-22(4-2)11-5-6-12(14(23)9-11)15-19-16(21-20-15)13-10-17-7-8-18-13/h5-10,23H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 310.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).